2-propyl-1,3-dihydroisoindol-5-amine

C11H16N2 — CID 43175779

IUPAC2-propyl-1,3-dihydroisoindol-5-amine
SMILESCCCN1Cc2ccc(N)cc2C1
InChIInChI=1S/C11H16N2/c1-2-5-13-7-9-3-4-11(12)6-10(9)8-13/h3-4,6H,2,5,7-8,12H2,1H3
InChIKeyOTVMJIZBIJQTPX-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds2

About 2-propyl-1,3-dihydroisoindol-5-amine

2-propyl-1,3-dihydroisoindol-5-amine (PubChem CID 43175779) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-propyl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-propyl-1,3-dihydroisoindol-5-amine
PubChem CID43175779
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-propyl-1,3-dihydroisoindol-5-amine
SMILESCCCN1Cc2ccc(N)cc2C1
InChIInChI=1S/C11H16N2/c1-2-5-13-7-9-3-4-11(12)6-10(9)8-13/h3-4,6H,2,5,7-8,12H2,1H3
InChIKeyOTVMJIZBIJQTPX-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
3-(Pyrrolidin-1-ylmethyl)aniline
CID 1096407
1-(3,4-Xylyl)piperazine
CID 2723782
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051
Amiflamine
CID 71221
2-(3,5-Dimethylphenyl)isoindoline
CID 613815
2-(Pyrrolidin-1-ylmethyl)aniline
CID 264311
4-(2-(Pyrrolidin-1-yl)ethyl)aniline
CID 6487047
[2-Methyl-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
CID 963286
3-[(3,4-Dimethylphenyl)amino]propanenitrile
CID 2416540
4-(Dimethylamino)-alpha,2-dimethylphenethylamine
CID 3043606
3-Methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 77974401

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-propyl-1,3-dihydroisoindol-5-amine (CID 43175779) is 2-propyl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-propyl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-propyl-1,3-dihydroisoindol-5-amine is CCCN1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-propyl-1,3-dihydroisoindol-5-amine?
The InChIKey is OTVMJIZBIJQTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-5-13-7-9-3-4-11(12)6-10(9)8-13/h3-4,6H,2,5,7-8,12H2,1H3.
What are the key properties of 2-propyl-1,3-dihydroisoindol-5-amine?
2-propyl-1,3-dihydroisoindol-5-amine has a molecular weight of 176.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43175779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).